120
M. A. Czarnecki and S. Morita
Fig. 6.6 Synchronous
PCMW2D correlation map
constructed from the
temperature-dependent NIR
spectra shown in Fig. 6.4.
Positive and negative
correlation intensities are
colored by red and blue,
respectively
of new peaks, not seen in the raw spectra, were resolved. The selective correlation of
the peaks allowed proposing the molecular mechanism of the temperature-induced
changes in hydrogen bonding for neat oleyl alcohol. Introduction of 2DCOS approach
to NIR region inspired a number of interesting studies on various kinds of samples.
The first applications were devoted to studies of hydrogen bonding in pure liquids
like alcohols, water, NMA or fatty acids. A next important step was an application of
2DCOS-NIR to more complex systems including water solutions of proteins. These
studies were focused mainly on examination of the secondary structure of proteins
as a function of temperature, concentration or pH. An important area of employing
of 2DCOS-NIR is polymer studies, with particular attention paid on the exploration
of the structural response of the hydrogen bonds and hydrocarbon chains during
heating, as well as stress-induced molecular chain deformation. Numerous works
have been devoted to 2DCOS-NIR examination of the structure and interactions in
binary mixtures of aqueous solutions of organic solvents like alcohols, NMA diols,
aminoaclohols and diamines. Most of these studies have been recently reviewed
[5–7]; hence, we focus our attention on new works.
Kwa´ sniewicz and Czarnecki explored the spectra–structure correlations in MIR
and NIR regions [22, 23]. The authors applied 2DCOS and chemometric methods
for analysis of ATR-IR, Raman and NIR spectra of eight n-alkanes and seven 1chloroalkanes in the liquid phase [22]. In both cases, the chain length variation was
used as a perturbation. As can be seen (Fig. 6.7), the overtones of the CH stretching
M. A. Czarnecki and S. Morita
Fig. 6.6 Synchronous
PCMW2D correlation map
constructed from the
temperature-dependent NIR
spectra shown in Fig. 6.4.
Positive and negative
correlation intensities are
colored by red and blue,
respectively
of new peaks, not seen in the raw spectra, were resolved. The selective correlation of
the peaks allowed proposing the molecular mechanism of the temperature-induced
changes in hydrogen bonding for neat oleyl alcohol. Introduction of 2DCOS approach
to NIR region inspired a number of interesting studies on various kinds of samples.
The first applications were devoted to studies of hydrogen bonding in pure liquids
like alcohols, water, NMA or fatty acids. A next important step was an application of
2DCOS-NIR to more complex systems including water solutions of proteins. These
studies were focused mainly on examination of the secondary structure of proteins
as a function of temperature, concentration or pH. An important area of employing
of 2DCOS-NIR is polymer studies, with particular attention paid on the exploration
of the structural response of the hydrogen bonds and hydrocarbon chains during
heating, as well as stress-induced molecular chain deformation. Numerous works
have been devoted to 2DCOS-NIR examination of the structure and interactions in
binary mixtures of aqueous solutions of organic solvents like alcohols, NMA diols,
aminoaclohols and diamines. Most of these studies have been recently reviewed
[5–7]; hence, we focus our attention on new works.
Kwa´ sniewicz and Czarnecki explored the spectra–structure correlations in MIR
and NIR regions [22, 23]. The authors applied 2DCOS and chemometric methods
for analysis of ATR-IR, Raman and NIR spectra of eight n-alkanes and seven 1chloroalkanes in the liquid phase [22]. In both cases, the chain length variation was
used as a perturbation. As can be seen (Fig. 6.7), the overtones of the CH stretching